SCHEMBL30733436

SCHEMBL30733436

CCCCCCOc1cccc(OCCCCCC)c1-c1c2nc(c(C#Cc3ccc(C(=O)O)cc3)c3ccc([nH]3)c(-c3c(OCCCCCC)cccc3OCCCCCC)c3nc(c(C#Cc4ccc(N)cc4)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.39
▸ CYCS P99999 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PLA2G4B P0C869 5/20 0.38
▸ RARB P10826 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PLA2G4A P47712 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30733249 0.96 TOP1 (0.43) TOP1CYCSTP53TSHRPLA2G4B
SCHEMBL30733261 0.93 MCHR1 (0.38) TOP1TSHR
SCHEMBL30733272 0.88 MCHR1 (0.35) TOP1
SCHEMBL29367085 0.85 TOP1 (0.38) TOP1CYCSTP53TSHRRARB
SCHEMBL30469523 0.84 TP53 (0.38) TOP1TP53TSHRPLA2G4BRARB
SCHEMBL29140520 0.83 ALDH1A1 (0.33) TP53TSHRPLA2G4BRARBALDH1A1
SCHEMBL30491758 0.77 TOP1 (0.34) TOP1CYCS
SCHEMBL29140522 0.72 IKBKB (0.32) —
SCHEMBL30733299 0.72 PDE5A (0.40) —
SCHEMBL1308810 0.67 PDE5A (0.54) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117425361-A Porphyrin passivation perovskite nano film material and preparation and application thereof 同济大学 2024-01-19 — — CN claimed
CN-117425361-A Porphyrin passivation perovskite nano film material and preparation and application thereof 同济大学 2024-01-19 — — CN disclosed
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